[4-(2-amino-5-chloropyrimidin-4-yl)pyrazol-1-yl]-piperidin-1-ylmethanone

C13H15ClN6O — CID 171660558

IUPAC[4-(2-amino-5-chloropyrimidin-4-yl)pyrazol-1-yl]-piperidin-1-ylmethanone
SMILESNc1ncc(Cl)c(-c2cnn(C(=O)N3CCCCC3)c2)n1
InChIInChI=1S/C13H15ClN6O/c14-10-7-16-12(15)18-11(10)9-6-17-20(8-9)13(21)19-4-2-1-3-5-19/h6-8H,1-5H2,(H2,15,16,18)
InChIKeyWLACKYUXURSLOX-UHFFFAOYSA-N
MW306.76 g/mol
LogP2.03
Rot. Bonds1

About [4-(2-amino-5-chloropyrimidin-4-yl)pyrazol-1-yl]-piperidin-1-ylmethanone

[4-(2-amino-5-chloropyrimidin-4-yl)pyrazol-1-yl]-piperidin-1-ylmethanone (PubChem CID 171660558) has the molecular formula C13H15ClN6O and a molecular weight of 306.76 g/mol. Its IUPAC name is [4-(2-amino-5-chloropyrimidin-4-yl)pyrazol-1-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(2-amino-5-chloropyrimidin-4-yl)pyrazol-1-yl]-piperidin-1-ylmethanone
PubChem CID171660558
Molecular FormulaC13H15ClN6O
Molecular Weight306.76 g/mol
Exact Mass306.10
IUPAC Name[4-(2-amino-5-chloropyrimidin-4-yl)pyrazol-1-yl]-piperidin-1-ylmethanone
SMILESNc1ncc(Cl)c(-c2cnn(C(=O)N3CCCCC3)c2)n1
InChIInChI=1S/C13H15ClN6O/c14-10-7-16-12(15)18-11(10)9-6-17-20(8-9)13(21)19-4-2-1-3-5-19/h6-8H,1-5H2,(H2,15,16,18)
InChIKeyWLACKYUXURSLOX-UHFFFAOYSA-N
XLogP2.03
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.76
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(2-amino-5-chloropyrimidin-4-yl)pyrazol-1-yl]-piperidin-1-ylmethanone?
The IUPAC name of [4-(2-amino-5-chloropyrimidin-4-yl)pyrazol-1-yl]-piperidin-1-ylmethanone (CID 171660558) is [4-(2-amino-5-chloropyrimidin-4-yl)pyrazol-1-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-(2-amino-5-chloropyrimidin-4-yl)pyrazol-1-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-(2-amino-5-chloropyrimidin-4-yl)pyrazol-1-yl]-piperidin-1-ylmethanone is Nc1ncc(Cl)c(-c2cnn(C(=O)N3CCCCC3)c2)n1.
What is the InChIKey of [4-(2-amino-5-chloropyrimidin-4-yl)pyrazol-1-yl]-piperidin-1-ylmethanone?
The InChIKey is WLACKYUXURSLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN6O/c14-10-7-16-12(15)18-11(10)9-6-17-20(8-9)13(21)19-4-2-1-3-5-19/h6-8H,1-5H2,(H2,15,16,18).
What are the key properties of [4-(2-amino-5-chloropyrimidin-4-yl)pyrazol-1-yl]-piperidin-1-ylmethanone?
[4-(2-amino-5-chloropyrimidin-4-yl)pyrazol-1-yl]-piperidin-1-ylmethanone has a molecular weight of 306.76 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-amino-5-chloropyrimidin-4-yl)pyrazol-1-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 171660558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).